It's very clear that I can google the answer by typing:
Algorithms for integrating the equations of motion amber.ambermd.org
and this is the answer from Jason
http://archive.ambermd.org/201406/0382.html
Hai
On Sun, May 10, 2015 at 7:15 PM, <gepaula.web.de> wrote:
>
> Hello,
>
> can someone tell me which algorithm(s) is/are implemented in AMBER for
> integrating the equations of motion ? (Verlet, leapfrog, Velocity Verlet
> and/or Beemans ?)
> Thank you very much in advance !
>
> Best regards,
> Paula
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Received on Sun May 10 2015 - 17:00:02 PDT
